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Information card for entry 7063776
Preview
| Coordinates | 7063776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 N4 O |
|---|---|
| Calculated formula | C7 H6 N4 O |
| Title of publication | Anticancer activity: synthesis, characterization and DNA binding of a 1,2,4-triazole-based Zn(ii) complex |
| Authors of publication | Gnanadeepam, Yakkobu; Shankar, Bhaskaran; Tamilselvi, Arunachalam |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 5.4928 ± 0.0001 Å |
| b | 9.4925 ± 0.0003 Å |
| c | 14.3453 ± 0.0005 Å |
| α | 90° |
| β | 98.819 ± 0.003° |
| γ | 90° |
| Cell volume | 739.13 ± 0.04 Å3 |
| Cell temperature | 298.69 ± 0.18 K |
| Ambient diffraction temperature | 298.69 ± 0.18 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299442 (current) | 2025-04-29 | cif/ Adding structures of 7063775, 7063776 via cif-deposit CGI script. |
7063776.cif |
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Users of the data should acknowledge the original authors of the
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